potassium 6-[di(tricosyl)amino]hexanoate

C52H104KNO2 — CID 101314750

IUPACpotassium 6-[di(tricosyl)amino]hexanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)CCCCCC(=O)[O-].[K+]
InChIInChI=1S/C52H105NO2.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-49-53(51-47-43-44-48-52(54)55)50-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-51H2,1-2H3,(H,54,55);/q;+1/p-1
InChIKeyCTESTOIYNUHQIF-UHFFFAOYSA-M
MW814.51 g/mol
LogP14.03
Rot. Bonds50

About potassium 6-[di(tricosyl)amino]hexanoate

potassium 6-[di(tricosyl)amino]hexanoate (PubChem CID 101314750) has the molecular formula C52H104KNO2 and a molecular weight of 814.51 g/mol. Its IUPAC name is potassium 6-[di(tricosyl)amino]hexanoate.

Molecular Properties

Compound Namepotassium 6-[di(tricosyl)amino]hexanoate
PubChem CID101314750
Molecular FormulaC52H104KNO2
Molecular Weight814.51 g/mol
Exact Mass813.77
IUPAC Namepotassium 6-[di(tricosyl)amino]hexanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)CCCCCC(=O)[O-].[K+]
InChIInChI=1S/C52H105NO2.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-49-53(51-47-43-44-48-52(54)55)50-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-51H2,1-2H3,(H,54,55);/q;+1/p-1
InChIKeyCTESTOIYNUHQIF-UHFFFAOYSA-M
XLogP14.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds50
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.51
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze potassium 6-[di(tricosyl)amino]hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
calcium bis(6-[di(tricosyl)amino]hexanoate)
CID 101314752
calcium bis(5-[di(henicosyl)amino]pentanoate)
CID 101314318
potassium 4-(dihexadecylamino)butanoate
CID 101313936
lithium 5-(dioctylamino)pentanoate
CID 101313475
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533
calcium bis(5-(dioctadecylamino)pentanoate)
CID 101314258
lithium 6-[di(nonadecyl)amino]hexanoate
CID 101314649
lithium 5-[di(tetradecyl)amino]pentanoate
CID 101314175
sodium 5-[di(nonyl)amino]pentanoate
CID 101314076
calcium bis(5-[di(tetradecyl)amino]pentanoate)
CID 101314178
calcium bis(9-(dioctylamino)nonanoate)
CID 101313608

Frequently Asked Questions

What is the IUPAC name of potassium 6-[di(tricosyl)amino]hexanoate?
The IUPAC name of potassium 6-[di(tricosyl)amino]hexanoate (CID 101314750) is potassium 6-[di(tricosyl)amino]hexanoate.
What is the SMILES notation for potassium 6-[di(tricosyl)amino]hexanoate?
The canonical SMILES for potassium 6-[di(tricosyl)amino]hexanoate is CCCCCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCCCCCC)CCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium 6-[di(tricosyl)amino]hexanoate?
The InChIKey is CTESTOIYNUHQIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C52H105NO2.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-49-53(51-47-43-44-48-52(54)55)50-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-51H2,1-2H3,(H,54,55);/q;+1/p-1.
What are the key properties of potassium 6-[di(tricosyl)amino]hexanoate?
potassium 6-[di(tricosyl)amino]hexanoate has a molecular weight of 814.51 g/mol, XLogP of 14.03, 50 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-[di(tricosyl)amino]hexanoate is sourced from PubChem (CID 101314750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).